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Details

Stereochemistry ACHIRAL
Molecular Formula C21H33N3O4S2
Molecular Weight 455.634
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cadisegliatin

SMILES

CCCO[C@H]1CC[C@@H](CC1)N(C2CCCCC2)C(=O)NC3=NC=C(SCC(O)=O)S3

InChI

InChIKey=HPGJSAAUJGAMLV-QAQDUYKDSA-N
InChI=1S/C21H33N3O4S2/c1-2-12-28-17-10-8-16(9-11-17)24(15-6-4-3-5-7-15)21(27)23-20-22-13-19(30-20)29-14-18(25)26/h13,15-17H,2-12,14H2,1H3,(H,25,26)(H,22,23,27)/t16-,17-

HIDE SMILES / InChI

Molecular Formula C21H33N3O4S2
Molecular Weight 455.634
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:02 UTC 2023
Edited
by admin
on Sat Dec 16 10:32:02 UTC 2023
Record UNII
98S8SH8UNF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cadisegliatin
USAN   INN  
Official Name English
[(2-{[cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]acetic acid
Systematic Name English
Acetic acid, 2-[[2-[[[cyclohexyl(trans-4-propoxycyclohexyl)amino]carbonyl]amino]-5-thiazolyl]thio]-
Systematic Name English
CADISEGLIATIN [USAN]
Common Name English
NNC 80-3315
Code English
TTP399
Code English
cadisegliatin [INN]
Common Name English
NN-9108
Code English
2-((2-(3-cyclohexyl-3-((1r,4r)-4-propoxycyclohexyl)ureido)thiazol-5-yl)thio)acetic acid
Systematic Name English
NN9108
Code English
NNC 0080-0000-3315
Code English
TTP-399
Code English
TTP-00223399
Code English
Code System Code Type Description
CAS
859525-02-3
Created by admin on Sat Dec 16 10:32:02 UTC 2023 , Edited by admin on Sat Dec 16 10:32:02 UTC 2023
PRIMARY
INN
12146
Created by admin on Sat Dec 16 10:32:02 UTC 2023 , Edited by admin on Sat Dec 16 10:32:02 UTC 2023
PRIMARY
SMS_ID
300000037420
Created by admin on Sat Dec 16 10:32:02 UTC 2023 , Edited by admin on Sat Dec 16 10:32:02 UTC 2023
PRIMARY
NCI_THESAURUS
C188544
Created by admin on Sat Dec 16 10:32:02 UTC 2023 , Edited by admin on Sat Dec 16 10:32:02 UTC 2023
PRIMARY
FDA UNII
98S8SH8UNF
Created by admin on Sat Dec 16 10:32:02 UTC 2023 , Edited by admin on Sat Dec 16 10:32:02 UTC 2023
PRIMARY
USAN
JK-182
Created by admin on Sat Dec 16 10:32:02 UTC 2023 , Edited by admin on Sat Dec 16 10:32:02 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
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